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OTAVA-ZINC01769926

 MMsINC code: MMs02561495
Type: Neutral
Formula: C25H19ClF2N2O3
SMILES:   Clc1ccc(cc1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(F)cc1F
InChI:   InChI=1/C25H19ClF2N2O3/c26-17-9-7-16(8-10-17)23(31)29(22-12-11-18(27)15-21(22)28)13-3-4-14-30-24(32)19-5-1-2-6-20(19)25(30)33/h1-2,5-12,15H,3-4,13-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.887 g/mol  logS: -7.32086  SlogP: 5.3414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433511  Sterimol/B1: 3.38789  Sterimol/B2: 4.36469  Sterimol/B3: 5.08617
  Sterimol/B4: 5.54574  Sterimol/L: 21.4241 
 
 Surface and Volume Properties
  Accessible surface: 713.247  Positive charged surface: 350.188  Negative charged surface: 363.059  Volume: 408.75
  Hydrophobic surface: 609.456  Hydrophilic surface: 103.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.